N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-piperonylamide Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4/c31-26(13-6-20-4-2-1-3-5-20)30-16-14-29(15-17-30)23-10-8-22(9-11-23)28-27(32)21-7-12-24-25(18-21)34-19-33-24/h1-13,18H,14-17,19H2,(H,28,32)/b13-6+